Commit Graph

21 Commits

Author SHA1 Message Date
Pierre-Francois Loos 989e0b9bd8 remove qcaml for pyscf 2023-07-03 14:33:48 +02:00
Antoine Marie c74579254d save file before pull 2023-04-20 17:00:34 +02:00
Pierre-Francois Loos 02f7a03385 regularized GF2 2021-12-17 13:36:26 +01:00
Pierre-Francois Loos aadf942f83 curvature corrected functional revisited 2021-11-24 10:25:48 +01:00
Pierre-Francois Loos 494204113b new version of SOSEX (need serious debugging) 2021-10-22 21:10:31 +02:00
Pierre-Francois Loos 0f28af6d50 Vxc in GW 2021-02-15 17:27:06 +01:00
Pierre-Francois Loos 73e6c58852 S^2 spin flip almost OK 2020-10-05 23:00:56 +02:00
Pierre-Francois Loos 5a3c224513 dipole RHF OK 2020-10-04 09:36:03 +02:00
Pierre-Francois Loos 192a6345de GIC functional 2020-04-06 19:40:42 +02:00
Pierre-Francois Loos 2eddd491bf individual energies fixed at fucking last 2020-04-01 22:59:52 +02:00
Pierre-Francois Loos e7fa09cbd0 guess 2020-03-31 23:33:48 +02:00
Pierre-Francois Loos bbc121c992 auxiliary energies 2020-03-30 22:45:05 +02:00
Pierre-Francois Loos 3e72d87adf starting implementing B88 2020-03-28 22:52:45 +01:00
Pierre-Francois Loos 23e752f5d1 workin on numgrid 2020-03-25 09:48:58 +01:00
Pierre-Francois Loos d0020765fc moved Cx in parameters 2020-03-18 16:06:29 +01:00
Pierre-Francois Loos 1d9eb104a6 clean up 2020-01-17 13:45:02 +01:00
Pierre-Francois Loos 3246143355 Ec AC 2020-01-08 10:17:19 +01:00
Pierre-Francois Loos a963b22293 debugging 2019-04-29 09:43:33 +02:00
Pierre-Francois Loos deb5144161 sph int 2019-04-18 23:22:23 +02:00
Pierre-Francois Loos a3b5d63ca2 Fixing IntPak 2019-03-13 11:34:51 +01:00
Pierre-Francois Loos 86964672d7 inital commit for quack 2019-02-07 22:49:12 +01:00